N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide

C23H29N3O4 — CID 93197911

IUPACN-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide
SMILESCCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H29N3O4/c1-3-12-24-22(28)20(25-21(27)18-8-5-4-7-16(18)2)17-10-13-26(14-11-17)23(29)19-9-6-15-30-19/h4-9,15,17,20H,3,10-14H2,1-2H3,(H,24,28)(H,25,27)/t20-/m0/s1
InChIKeyDCMSCYGNGMAKPN-FQEVSTJZSA-N
MW411.50 g/mol
LogP2.77
Rot. Bonds7

About N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide

N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide (PubChem CID 93197911) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide
PubChem CID93197911
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide
SMILESCCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H29N3O4/c1-3-12-24-22(28)20(25-21(27)18-8-5-4-7-16(18)2)17-10-13-26(14-11-17)23(29)19-9-6-15-30-19/h4-9,15,17,20H,3,10-14H2,1-2H3,(H,24,28)(H,25,27)/t20-/m0/s1
InChIKeyDCMSCYGNGMAKPN-FQEVSTJZSA-N
XLogP2.77
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide
CID 46019645
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide
CID 46154317
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 46019129
N-[(1R)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93196594
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196580
4-methoxy-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93197682
N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196592
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 46037046
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199777
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196576
N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 42840222
2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93196391

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide?
The IUPAC name of N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide (CID 93197911) is N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide is CCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide?
The InChIKey is DCMSCYGNGMAKPN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-12-24-22(28)20(25-21(27)18-8-5-4-7-16(18)2)17-10-13-26(14-11-17)23(29)19-9-6-15-30-19/h4-9,15,17,20H,3,10-14H2,1-2H3,(H,24,28)(H,25,27)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide?
N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide has a molecular weight of 411.50 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide is sourced from PubChem (CID 93197911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).